7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

C17H17F2N3O2 — CID 87068133

IUPAC7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(O)c(-c3ccccc3C)c(=O)n(CC(F)F)c2n1
InChIInChI=1S/C17H17F2N3O2/c1-3-21-8-12-15(23)14(11-7-5-4-6-10(11)2)17(24)22(9-13(18)19)16(12)20-21/h4-8,13,23H,3,9H2,1-2H3
InChIKeyHLXWENWLBFWFTF-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.16
Rot. Bonds4

About 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (PubChem CID 87068133) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
PubChem CID87068133
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(O)c(-c3ccccc3C)c(=O)n(CC(F)F)c2n1
InChIInChI=1S/C17H17F2N3O2/c1-3-21-8-12-15(23)14(11-7-5-4-6-10(11)2)17(24)22(9-13(18)19)16(12)20-21/h4-8,13,23H,3,9H2,1-2H3
InChIKeyHLXWENWLBFWFTF-UHFFFAOYSA-N
XLogP3.16
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (CID 87068133) is 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is CCn1cc2c(O)c(-c3ccccc3C)c(=O)n(CC(F)F)c2n1.
What is the InChIKey of 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is HLXWENWLBFWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-3-21-8-12-15(23)14(11-7-5-4-6-10(11)2)17(24)22(9-13(18)19)16(12)20-21/h4-8,13,23H,3,9H2,1-2H3.
What are the key properties of 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 333.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-2-ethyl-4-hydroxy-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 87068133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).